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	hartrees
Energy at 0K	-1195.210201
Energy at 298.15K	-1195.212494
HF Energy	-1195.210201
Nuclear repulsion energy	191.941622

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2560	2524	25.36
2	A'	845	833	4.62
3	A'	463	457	0.66
4	A'	356	351	22.24
5	A'	195	193	0.19
6	A"	2560	2525	1.14
7	A"	833	821	11.38
8	A"	435	429	52.54
9	A"	340	336	7.53

Atom	x (Å)	y (Å)	z (Å)
S1	-0.054	0.827	0.000
S2	-0.054	-0.382	1.715
S3	-0.054	-0.382	-1.715
H4	1.295	-0.511	1.881
H5	1.295	-0.511	-1.881

	S1	S2	S3	H4	H5
S1		2.0978	2.0978	2.6734	2.6734
S2	2.0978		3.4294	1.3650	3.8425
S3	2.0978	3.4294		3.8425	1.3650
H4	2.6734	1.3650	3.8425		3.7620
H5	2.6734	3.8425	1.3650	3.7620

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	S2	H4	98.868		S1	S3	H5	98.868
S2	S1	S3	109.646

All results from a given calculation for HSSSH (trisulfane)

using model chemistry: PBEPBEultrafine/6-31G**

States and conformations

Conformer 1 (C2 trans)

Conformer 2 (CS cis)

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	S	-0.062
2	S	-0.070
3	S	-0.070
4	H	0.101
5	H	0.101

	x	y	z	Total
	2.132	-0.588	0.000	2.212
CHELPG
AIM
ESP

	x	y	z
x	5.535	-0.328	0.000
y	-0.328	5.931	0.000
z	0.000	0.000	12.123

<r²>	145.512
(<r²>)^1/2	12.063